C20: the smallest fullerene?

作者: V. Parasuk , J. Almlöf

DOI: 10.1016/0009-2614(91)87185-E

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摘要: Abstract The structure of 20-atom carbon clusters has been studied using correlated ab initio calculations with large basis sets. SCF predict a monocyclic, poly-acetylene to be the most stable from. In contrast, “fullerene”-type, cage is ground state conformer at level.

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